SCHEMBL6505533

SCHEMBL6505533

COC(=O)C(N)Cc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
MAPT P10636 5/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
PPARG P37231 1/20 0.41
F2 P00734 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8298679 1.00 NPC1 (0.47) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL30714783 0.88 RAB9A (0.46) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL1627274 0.83 NPC1 (0.53) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL5288034 0.83 NPC1 (0.53) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL11099516 0.83 NPC1 (0.53) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL7926603 0.79 PPARG (0.50) PPARG
SCHEMBL5775890 0.76 NPC1 (0.51) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL5624696 0.76 MAPT (0.54) NPC1RAB9AMAPTLOXL2SMN1; SMN2
SCHEMBL6495999 0.75 ALDH1A1 (0.51) NPC1RAB9AALDH1A1TSHR
SCHEMBL7909117 0.75 NPC1 (0.58) NPC1RAB9AMAPTLOXL2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed